Summary

Molecular formula: C32H46O7
SMILES: COC(=O)CC[C@@]1(C)[C@@H](C[C@@H](C2=C1C(=O)C[C@]13[C@@]2(C)CC[C@@H]3[C@]2(C)CC[C@](OC1)(O2)CC)OC(=O)C)C(=C)C
InChI: InChI=1S/C32H46O7/c1-9-32-15-14-30(7,39-32)24-10-13-29(6)27-23(38-20(4)33)16-21(19(2)3)28(5,12-11-25(35)36-8)26(27)22(34)17-31(24,29)18-37-32/h21,23-24H,2,9-18H2,1,3-8H3/t21-,23-,24+,28-,29-,30-,31-,32+/m0/s1
InChIKey: ZYNKTKAKQHBMHK-ARJQYETKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23COC4CCC(O4)C2CCC3C2=C1CCCC2

Scaffold Graph/Node level:
OC1CC23COC4CCC(O4)C2CCC3C2CCCCC12

Scaffold Graph level:
CC1CC23CCC4CCC(C4)C2CCC3C2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
ganoboninketal a

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External chemical identifiers:
CID_118711170; NPATLAS_NPA012897; CHEMSPIDER_58112251; ZINC_ZINC000299836413

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Chemical structure download